N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide

C17H19ClN2O5S — CID 126778857

IUPACN-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)co1
InChIInChI=1S/C17H19ClN2O5S/c1-19-26(22,23)16-7-12(10-25-16)17(21)20-14-8-13(18)5-6-15(14)24-9-11-3-2-4-11/h5-8,10-11,19H,2-4,9H2,1H3,(H,20,21)
InChIKeyZBEAZHPOFUERSX-UHFFFAOYSA-N
MW398.87 g/mol
LogP3.27
Rot. Bonds7

About N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide

N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide (PubChem CID 126778857) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide
PubChem CID126778857
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC NameN-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)co1
InChIInChI=1S/C17H19ClN2O5S/c1-19-26(22,23)16-7-12(10-25-16)17(21)20-14-8-13(18)5-6-15(14)24-9-11-3-2-4-11/h5-8,10-11,19H,2-4,9H2,1H3,(H,20,21)
InChIKeyZBEAZHPOFUERSX-UHFFFAOYSA-N
XLogP3.27
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 99829500
1-[[5-chloro-2-(cyclobutylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091053
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 166209363
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
N-(2-methylcyclohexyl)-5-(methylsulfamoyl)furan-3-carboxamide
CID 154858067
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120706224
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide (CID 126778857) is N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide is CNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)co1.
What is the InChIKey of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide?
The InChIKey is ZBEAZHPOFUERSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-19-26(22,23)16-7-12(10-25-16)17(21)20-14-8-13(18)5-6-15(14)24-9-11-3-2-4-11/h5-8,10-11,19H,2-4,9H2,1H3,(H,20,21).
What are the key properties of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide?
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide is sourced from PubChem (CID 126778857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).